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  1. Third-Parties
  2. MatprojStructure
  3. mp-581403

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-581403
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Si', 'B', 'F']
  • Chemical System: B-F-K-Na-Si
  • Density: 2.6300347881166593
  • Atomic Density: 0.07236306099381384
  • Unit Cell Volume: 456.03377671960413
  • Molar Volume: 8.322119983999599
  • Full Formula: K3 Na4 Si3 B1 F22
  • Reduced Formula: K3Na4Si3BF22
  • Formula Anonymous: AB3C3D4E22
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -185.02459345
  • Final energy per atom: -5.606805862121212
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.